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89810-44-6 | 2-formamido-3-methyl-pentanoic acid
CAS No: 89810-44-6 Catalog No: AG003Y60 MDL No:
Product Description
Catalog Number:
AG003Y60
Chemical Name:
2-formamido-3-methyl-pentanoic acid
CAS Number:
89810-44-6
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
2-formamido-3-methylpentanoic acid
InChI:
InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:
IONXXIKCTQHZNC-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NC=O)CC
NSC Number:
334341
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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